SCHEMBL21632244

SCHEMBL21632244

CC(=O)O[C@@]1(C)C[C@H](OC(=O)C=C(C)C)[C@@]2(O)[C@@H](OC(=O)[C@@]2(C)O)C2=C(C)[C@H](O)C[C@@H]21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
ATP2A1 O14983 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21632245 1.00 MAPT (0.47) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL21632267 0.85 MAPT (0.61) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL21632264 0.85 MAPT (0.61) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL17380894 0.84 MAPT (0.41) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL21675425 0.84 MAPT (0.47) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL21632247 0.84 MAPT (0.47) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL21632248 0.84 MAPT (0.47) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL21900319 0.80 MAPT (0.70) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL29791975 0.80 MAPT (0.70) MAPTNPC1POLBMAPK1RAB9A
SCHEMBL21675306 0.80 MAPT (0.70) MAPTNPC1POLBMAPK1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168064-B2 Synthesis of thapsigargin, nortrilobolide, and analogs thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-11-09 US disclosed
US-11168064-B2 Synthesis of thapsigargin, nortrilobolide, and analogs thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-11-09 US disclosed
US-20200031793-A1 Synthesis of Thapsigargin, Nortrilobolide, and Analogs Thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-01-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200031793-A1 Synthesis of Thapsigargin, Nortrilobolide, and Analogs Thereof HSPA5, ATP2A1, CYP51A1 MAPT 2316/4885NPC1 510/4885POLB 3613/4885
US-11168064-B2 Synthesis of thapsigargin, nortrilobolide, and analogs thereof HSPA5, ATP2A1, CYP51A1 MAPT 2316/4885NPC1 510/4885POLB 3613/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.